| SpectraBase Compound ID | GUYP6giQxmg |
|---|---|
| InChI | InChI=1S/C30H46O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,17,19-24,26-27,31,33-34H,4-11,13-16H2,1-3H3/t17-,19?,20+,21-,22?,23?,24+,26?,27-,28-,29-,30+/m1/s1 |
| InChIKey | FXZKDRVSINFUOY-WGEGVPKWSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C30H46O8 |
| Exact Mass | 534.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AJcAZqqyRV |
|---|---|
| Name | Maquiroside A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O8 |
| InChI | InChI=1S/C30H46O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,17,19-24,26-27,31,33-34H,4-11,13-16H2,1-3H3/t17-,19?,20+,21-,22?,23?,24+,26?,27-,28-,29-,30+/m1/s1 |
| InChIKey | FXZKDRVSINFUOY-WGEGVPKWSA-N |
| Molecular Weight | 534.690 g/mol |
| SMILES | O[C@@]1([C@](OC(O[C@]2(CC[C@@]3(C4CC[C@]5([C@](CC[C@@]5(C5=CC(=O)OC5)[H])(C4CCC3C2)O)C)CO)[H])C[C@@]1(OC)[H])(C)[H])[H] |
| SPLASH | splash10-0072-7905000000-c1c717d56cc5fe070908 |
| Source of Spectrum | X2-50-215-1 |
| Wiley ID | 1602160 |